Basic information
- CAS
13326-32-4- Standard SMILES
CCN(CC)CCCC(C#N)(CCCN(CC)CC)c1cccc2ccccc12- InChIKey
JAYUFFNKSCTAJV-UHFFFAOYSA-N- Molecular formula
- C26H39N3
- Average molar mass
- 393.6 g/mol
- Monoisotopic mass
- 393.31439826
Names & identifiers
- Preferred name
- 1-Naphthaleneacetonitrile, alpha,alpha-bis(3-(diethylamino)propyl)-
- IUPAC
- 5-(diethylamino)-2-[3-(diethylamino)propyl]-2-naphthalen-1-ylpentanenitrile
- English name
- α,α-Bis[3-(diethylamino)propyl]-1-naphthaleneacetonitrile
- Molecular formula
- C26H39N3
- Molecular weight
- 393.60796
Names & synonyms
13326-32-4BRN 27778781-NAPHTHALENEACETONITRILE, alpha,alpha-BIS(3-(DIETHYLAMINO)PROPYL)-alpha,alpha-Bis(3-(diethylamino)propyl)-1-naphthaleneacetonitrileDTXSID60158031alpha,alpha-Bis[3-(diethylamino)propyl]-1-naphthaleneacetonitrileRefChem:232216DTXCID10805225-(diethylamino)-2-[3-(diethylamino)propyl]-2-naphthalen-1-ylpentanenitrile5-(diethylamino)-2-[3-(diethylamino)propyl]-2-(naphthalen-1-yl)pentanenitrileα,α-Bis[3-(diethylamino)propyl]-1-naphthaleneacetonitrile
Database identifiers
- CAS
13326-32-4- PubChem CID
- 25871
- DTXSID
DTXSID60158031- Nikkaji
- J85.507C
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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